4-Ethoxyaniline → N2-(4-Ethoxyphenyl)-5-methoxycarbonyl-4-trifluoromethyl-2-pyrimidineamine

반응식

[CH2:16]([CH3:17])[O:18][c:19]1[cH:20][cH:21][c:22]([NH2:23])[cH:24][cH:25]1.[CH2:26]([O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[NH:34][c:35]1[n:36][c:37]([C:38]([F:39])([F:40])[F:41])[c:42]([C:43]([O:44][CH3:45])=[O:46])[cH:47][n:48]1)[CH3:49].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:12](=[O:13])[O:14][CH3:15])[c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1>>[c:2]1([NH:23][c:22]2[cH:21][cH:20][c:19]([O:18][CH2:16][CH3:17])[cH:25][cH:24]2)[n:3][cH:4][c:5]([C:12](=[O:13])[O:14][CH3:15])[c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1

참가 물질

반응물 3

HCID 90764-Ethoxyaniline

HCID 3696469Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

HCID 22060734N2-(2-ethoxyphenyl)-5-methoxycarbonyl-4-trifluoromethyl-2-pyrimidineamine

생성물 1

HCID 22060255N2-(4-Ethoxyphenyl)-5-methoxycarbonyl-4-trifluoromethyl-2-pyrimidineamine

출처 및 근거

ORD 기록: ord-8186148bc7cc490a8ebb139303658ace
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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